Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50002749   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50462439 (CHEMBL4237449) Show SMILES COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)cc2)cc1 Show InChI InChI=1S/C22H21NO4/c1-26-20-9-7-17(8-10-20)15-27-21-11-5-16(6-12-21)14-23-19-4-2-3-18(13-19)22(24)25/h2-13,23H,14-15H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50462437 (CHEMBL4240338) Show SMILES COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)c(OCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C30H29NO6/c1-34-26-11-6-21(7-12-26)19-36-28-15-10-24(18-31-25-5-3-4-23(16-25)30(32)33)29(17-28)37-20-22-8-13-27(35-2)14-9-22/h3-17,31H,18-20H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50462440 (CHEMBL4240680) Show SMILES COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(O)=O)c3)cc2)cc1 Show InChI InChI=1S/C25H27NO5/c1-25(2,24(27)28)31-23-6-4-5-20(15-23)26-16-18-7-13-22(14-8-18)30-17-19-9-11-21(29-3)12-10-19/h4-15,26H,16-17H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50462438 (CHEMBL4237642) Show SMILES COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(O)=O)c3)c(OCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C33H35NO7/c1-33(2,32(35)36)41-30-7-5-6-26(18-30)34-20-25-12-17-29(39-21-23-8-13-27(37-3)14-9-23)19-31(25)40-22-24-10-15-28(38-4)16-11-24/h5-19,34H,20-22H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair				3D Structure (crystal)